SCHEMBL20613626

SCHEMBL20613626

CCCCCCCCCC(=O)NCCNC(=O)CC(C)(C)CO

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.56
NAAA Q02083 1/20 0.53
DNM1 Q05193 2/20 0.53
CASP2 P42575 1/20 0.51
SELP P16109 1/20 0.50
CNR1 P21554 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TRPV1 Q8NER1 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
EPHX2 P34913 2/20 0.47
CNR2 P34972 1/20 0.46
HSP90AA1 P07900 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20613738 1.00 FAAH (0.56) FAAHNAAADNM1CASP2SELP
SCHEMBL20613633 1.00 FAAH (0.56) FAAHNAAADNM1CASP2SELP
SCHEMBL20613639 0.93 NAAA (0.47) FAAHNAAADNM1CASP2SELP
SCHEMBL20613667 0.86 CASP2 (0.48) FAAHNAAACASP2ALDH1A1HPGD
SCHEMBL31235537 0.84 FAAH (0.58) FAAHNAAADNM1CASP2SELP
SCHEMBL25008200 0.82 FAAH (0.77) FAAHNAAADNM1CASP2SELP
SCHEMBL135555 0.82 FAAH (0.77) FAAHNAAADNM1CASP2SELP
SCHEMBL846255 0.82 FAAH (0.77) FAAHNAAADNM1CASP2SELP
SCHEMBL25350370 0.82 FAAH (0.77) FAAHNAAADNM1CASP2SELP
SCHEMBL14576744 0.82 FAAH (0.77) FAAHNAAADNM1CASP2SELP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215496-B1 PANTOTHENAMIDE ANALOGUES RADBOUD UNIV MEDISCH CENTRUM (NL) 2019-01-02 EP disclosed